2ZZB: Thioredoxin reductase 1, cytoplasmic

Crystal structure of human thioredoxin reductase I and terpyridine platinum(II). Determined by X-ray diffraction at 3.2 Å resolution. Released 18 Aug 2009.

Method: X-ray diffraction
Resolution: 3.2 Å
Organism: Homo sapiens
Chains: 4
Atoms: 15,394
Mol. weight: 230.42 kDa
Ligands: FAD, TPT
Released: 18 Aug 2009

Explore 2ZZB in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2ZZB contains 70 α-helices and 127 β-strands across 4 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 16 helices, 30 β-strands

Element	Residues	Length	Sheet
β-strand	13-18	6	1
α-helix	22-32	11
β-strand	38-41	4	1
α-helix	45-47	3
α-helix	58-62	5
α-helix	64-82	19
β-strand	88	1	2
β-strand	95-96	2	3
α-helix	98-122	25
β-strand	126-128	3	1
β-strand	131-136	6	4
β-strand	139-143	5	4
β-strand	151-153	3	4
β-strand	154-159	6	1
β-strand	163-165	3	5
α-helix	166-167	2
α-helix	173-176	4
β-strand	178-179	2	6
α-helix	180-183	4
β-strand	193-196	4	6
α-helix	200-210	11
β-strand	216-220	5	6
α-helix	230-242	13
β-strand	246-249	4	6
β-strand	251-260	10	7
β-strand	266-273	8	7
β-strand	279-284	6	7
β-strand	286-289	4	6
β-strand	293-295	3	5
β-strand	316	1	8
β-strand	323	1	1
β-strand	329-331	3	1
β-strand	336	1	8
α-helix	343-358	16
β-strand	372-374	3	9
β-strand	380-384	5	9
α-helix	387-394	8
β-strand	399-406	8	9
α-helix	409-412	4
β-strand	421-428	8	9
β-strand	434-441	8	9
α-helix	445-456	12
β-strand	461	1	9
α-helix	462-466	5
α-helix	475-479	5
β-strand	485	1	9

Chain B: 18 helices, 35 β-strands

Element	Residues	Length	Sheet
β-strand	13	1	10
β-strand	15-18	4	11
α-helix	22-32	11
β-strand	38-41	4	11
α-helix	45-47	3
α-helix	58-62	5
α-helix	64-85	22
β-strand	88-89	2	3
β-strand	96	1	2
α-helix	98-122	25
β-strand	126-128	3	11
β-strand	131	1	12
β-strand	134-136	3	13
β-strand	139-141	3	13
β-strand	143	1	12
β-strand	151-153	3	13
β-strand	154	1	10
β-strand	157-159	3	11
β-strand	165	1	14
α-helix	173-176	4
β-strand	178-179	2	15
α-helix	180-183	4
β-strand	193-196	4	15
α-helix	200-211	12
β-strand	216-220	5	15
α-helix	230-242	13
β-strand	246-249	4	15
β-strand	251-260	10	16
β-strand	266-273	8	16
β-strand	279-284	6	16
β-strand	286-289	4	15
β-strand	293	1	14
β-strand	316	1	17
β-strand	323	1	11
β-strand	329-331	3	11
β-strand	336	1	17
α-helix	343-358	16
α-helix	363-366	4
β-strand	372-374	3	18
β-strand	380-384	5	18
α-helix	387-394	8
β-strand	399-402	4	18
β-strand	405	1	18
α-helix	409-412	4
β-strand	422-428	7	18
α-helix	429-431	3
β-strand	434-441	8	18
α-helix	445-456	12
β-strand	461	1	18
α-helix	462-466	5
α-helix	469-471	3
α-helix	475-480	6
β-strand	485	1	18

Chain C: 18 helices, 30 β-strands

Element	Residues	Length	Sheet
β-strand	13-18	6	19
α-helix	22-32	11
β-strand	38-41	4	19
α-helix	45-47	3
α-helix	58-62	5
α-helix	64-83	20
β-strand	88-89	2	20
β-strand	96	1	21
α-helix	98-122	25
β-strand	126-128	3	19
β-strand	133-136	4	22
β-strand	139-141	3	22
β-strand	151-153	3	22
β-strand	154-159	6	19
β-strand	163-165	3	23
α-helix	173-176	4
β-strand	178-179	2	24
α-helix	180-183	4
β-strand	193-196	4	24
α-helix	200-211	12
β-strand	216-220	5	24
α-helix	230-242	13
β-strand	246-249	4	24
β-strand	251-260	10	25
β-strand	266-273	8	25
β-strand	279-284	6	25
β-strand	286-289	4	24
β-strand	293-295	3	23
β-strand	316	1	26
β-strand	323	1	19
β-strand	329-331	3	19
β-strand	336	1	26
α-helix	343-358	16
α-helix	363-366	4
β-strand	371-374	4	27
β-strand	380-384	5	27
α-helix	387-394	8
α-helix	396-398	3
β-strand	399-406	8	27
α-helix	409-412	4
β-strand	421-428	8	27
β-strand	434-441	8	27
α-helix	445-456	12
β-strand	461	1	27
α-helix	462-467	6
α-helix	469-471	3
α-helix	475-481	7
β-strand	485	1	27

Chain D: 18 helices, 32 β-strands

Element	Residues	Length	Sheet
β-strand	13-18	6	28
α-helix	22-32	11
β-strand	38-41	4	28
α-helix	45-47	3
α-helix	58-61	4
α-helix	64-85	22
β-strand	88	1	21
β-strand	95-96	2	20
α-helix	98-123	26
β-strand	126-128	3	28
β-strand	131-136	6	29
β-strand	139-143	5	29
β-strand	151-153	3	29
β-strand	154-159	6	28
β-strand	165	1	30
α-helix	173-176	4
β-strand	178-179	2	31
α-helix	180-183	4
β-strand	193-196	4	31
α-helix	200-211	12
β-strand	216-220	5	31
β-strand	226	1	32
β-strand	228	1	32
α-helix	230-242	13
β-strand	246-249	4	31
β-strand	251-260	10	33
β-strand	266-273	8	33
β-strand	279-284	6	33
β-strand	286-289	4	31
β-strand	293	1	30
α-helix	302-305	4
β-strand	316	1	34
β-strand	323	1	28
β-strand	329-331	3	28
β-strand	336	1	34
α-helix	343-358	16
α-helix	363-366	4
β-strand	372-374	3	35
β-strand	380-384	5	35
α-helix	387-394	8
β-strand	399-406	8	35
α-helix	409-412	4
β-strand	421-428	8	35
β-strand	434-441	8	35
α-helix	445-457	13
β-strand	461	1	35
α-helix	462-467	6
α-helix	469-471	3
α-helix	476-479	4
β-strand	485	1	35

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Thioredoxin reductase 1, cytoplasmic	A, B, C, D	protein	513	Homo sapiens	Q16881

Sequence of entity 1 (A, B, C, D), FASTA

>2ZZB_1 Thioredoxin reductase 1, cytoplasmic (chains A, B, C, D)
MAHHHHHHVDDDDKMNGPEDLPKSYDYDLIIIGGGSGGLAAAKEAAQYGKKVMVLDFVTP
TPLGTRWGLGGTCVNVGCIPKKLMHQAALLGQALQDSRNYGWKVEETVKHDWDRMIEAVQ
NHIGSLNWGYRVALREKKVVYENAYGQFIGPHRIKATNNKGKEKIYSAERFLIATGERPR
YLGIPGDKEYCISSDDLFSLPYCPGKTLVVGASYVALECAGFLAGIGLDVTVMVRSILLR
GFDQDMANKIGEHMEEHGIKFIRQFVPIKVEQIEAGTPGRLRVVAQSTNSEEIIEGEYNT
VMLAIGRDACTRKIGLETVGVKINEKTGKIPVTDEEQTNVPYIYAIGDILEDKVELTPVA
IQAGRLLAQRLYAGSTVKCDYENVPTTVFTPLEYGACGLSEEKAVEKFGEENIEVYHSYF
WPLEWTIPSRDNNKCYAKIICNTKDNERVVGFHVLGPNAGEVTQGFAAALKCGLTKKQLD
STIGIHPVCAEVFTTLSVTKRSGASILQAGCCG

Ligands and cofactors

ID	Name	Formula	Copies
FAD	Flavin-adenine dinucleotide	C27 H33 N9 O15 P2	4
TPT	2,2':6',2''-TERPYRIDINE PLATINUM(II) Chloride	C15 H11 Cl N3 Pt	2

Water and common crystallization additives (SO4) are not listed.

Primary citation

Terpyridine-platinum(II) complexes are effective inhibitors of mammalian topoisomerases and human thioredoxin reductase 1. Lo, Y.C., Ko, T.P., Su, W.C. et al. J Inorg Biochem (2009) 103:1082-1092. DOI 10.1016/j.jinorgbio.2009.05.006 · PubMed

Other PDB entries of the same protein (UniProt Q16881), best resolution first:

3QFA 2.2 Å, Crystal structure of the human thioredoxin reductase-thioredoxin complex
2ZZC 2.6 Å, Crystal structure of NADP(H):human thioredoxin reductase I
3QFB 2.6 Å, Crystal structure of the human thioredoxin reductase-thioredoxin complex
2CFY 2.7 Å, Crystal structure of human thioredoxin reductase 1
2J3N 2.8 Å, X-ray structure of human thioredoxin reductase 1
2ZZ0 2.8 Å, Crystal structure of human thioredoxin reductase I (SeCys 498 Cys)
9UIN 3.03 Å, Human thioredoxin reductase 1 (SeCys 498 Cys) with Cu(I)
7X1R 3.9 Å, Cryo-EM structure of human thioredoxin reductase bound by Au

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